I assume you guys are miles ahead of me on this. But on the off chance
you haven't heard about this work in Karl Freed's group:
A simple method for faster nonbonded force evaluations
Min-Yi Shen, Karl F. Freed
Journal of Computational Chemistry
Volume 26, Issue 7 , Pages 691 - 698
According to Karl, it gives a x2 speedup to force evaluation.
Cheers,
Brent
__________________________________________________________________
Brent P. Krueger phone: 616 395 7629
Assistant Professor fax: 616 395 7118
Hope College
Department of Chemistry
Holland, MI 49423
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon May 02 2005 - 13:53:01 PDT
